1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol

C13H14BrFN2O2 — CID 114638169

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1cccc(F)c1C(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C13H14BrFN2O2/c1-13(18,12-8(14)7-16-17(12)2)11-9(15)5-4-6-10(11)19-3/h4-7,18H,1-3H3
InChIKeyGGRTWXSZNQJLAW-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol

1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol (PubChem CID 114638169) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
PubChem CID114638169
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1cccc(F)c1C(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C13H14BrFN2O2/c1-13(18,12-8(14)7-16-17(12)2)11-9(15)5-4-6-10(11)19-3/h4-7,18H,1-3H3
InChIKeyGGRTWXSZNQJLAW-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172
1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 114685435
2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol
CID 114635965
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 114633531
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
1-(2-fluoro-6-methoxyphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 113389290
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
CID 116542850
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872490
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 114641680

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol (CID 114638169) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol is COc1cccc(F)c1C(C)(O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The InChIKey is GGRTWXSZNQJLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-13(18,12-8(14)7-16-17(12)2)11-9(15)5-4-6-10(11)19-3/h4-7,18H,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol has a molecular weight of 329.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol is sourced from PubChem (CID 114638169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).